dc.contributor | Department of Chemistry, Faculty of Science, Masaryk University, Brno, Czech Republic | en_US |
dc.contributor | Institute of Physics of Materials, Academy of Sciences of the Czech Republic, Brno, Czech Republic | |
dc.contributor | Henyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang, China | |
dc.contributor | Institute of Physical Chemistry, University of Vienna, Vienna, Austria | |
dc.contributor.author | Chen, X.P. | |
dc.contributor.author | Pavlu, J. | |
dc.contributor.author | Rogl, P. | |
dc.contributor.author | Vrest, J. | |
dc.contributor.other | vrestal@chemi.muni.cz | en_US |
dc.date.accessioned | 2013-03-29T16:09:42Z | |
dc.date.accessioned | 2015-08-05T17:49:31Z | |
dc.date.available | 2013-03-29T16:09:42Z | |
dc.date.available | 2015-08-05T17:49:31Z | |
dc.date.issued | 2013-03-29 | |
dc.identifier.citation | Calphad Volume 35, Issue 1, March 2011, Pages 103–108 | en_US |
dc.identifier.uri | http://hdl.handle.net/11115/78 | |
dc.description.abstract | The Ta–V system is an interesting system exhibiting the existence of Laves phases among elements of the same group in the periodic system, and with an unusual order of stability of Laves phase structures at 0 K. Whereas the hexagonal C14 Laves phase is stable at 0 K and at high temperatures, the C15 structure is the most stable Laves phase at intermediate temperatures.
The ab initio calculations of the total energies of formation for both C14 and C15 Laves phases employed two- and three-sublattice models to revise the thermodynamic description of the system published recently. The remodeled Gibbs energies of Laves phases require less fitting parameters than those obtained in previous treatments and the corresponding phase diagrams provide an excellent agreement with the experimental data on the phase stability and phase boundaries found in the literature. The new fitting procedure proposed involves a temperature dependent heat capacity for the C15 structure and allows us to compare the optimized heat capacity differences between the Laves phase and Standard Element Reference structure with those determined experimentally and theoretically. | en_US |
dc.description.sponsorship | Czech Republic P108/10/1908 ; Czech Republic Ministry of Education MSM0021622410 and MEB 060915 ; Czech Republic WTZ ÖAD CZ 11/2009 ; CAS “Hundred Talents Project” | en_US |
dc.relation.uri | http://dx.doi.org/10.1016/j.calphad.2010.12.002 | en_US |
dc.rights | Attribution-ShareAlike 3.0 United States | * |
dc.rights.uri | http://creativecommons.org/licenses/by-sa/3.0/us/ | * |
dc.subject | Ta-V | en_US |
dc.subject | C14 Laves | |
dc.subject | C15 Laves | |
dc.subject | C36 Laves | |
dc.subject | File Repository Categories::Phases::Disordered::BCC_A2 | |
dc.subject | File Repository Categories::Phases::Liquid | |
dc.subject | File Repository Categories::Property Classes::Thermodynamics | |
dc.subject | File Repository Categories::Platforms::Thermocalc | |
dc.title | Ta-V Thermodynamic modeling of Laves phases | en_US |
dc.type | Functional Description | en_US |